[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid

C14H16N2O4 — CID 150921209

IUPAC[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
SMILESCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)O
InChIInChI=1S/C14H16N2O4/c1-2-5-9(15-14(19)20)8-16-12(17)10-6-3-4-7-11(10)13(16)18/h3-4,6-7,9,15H,2,5,8H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyLEBKURDYFAARCN-SECBINFHSA-N
MW276.29 g/mol
LogP1.72
Rot. Bonds5

About [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid

[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid (PubChem CID 150921209) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
PubChem CID150921209
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
SMILESCCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)O
InChIInChI=1S/C14H16N2O4/c1-2-5-9(15-14(19)20)8-16-12(17)10-6-3-4-7-11(10)13(16)18/h3-4,6-7,9,15H,2,5,8H2,1H3,(H,19,20)/t9-/m1/s1
InChIKeyLEBKURDYFAARCN-SECBINFHSA-N
XLogP1.72
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-bromophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 68651874
2-[2-(methylamino)butyl]isoindole-1,3-dione
CID 55135572
ethyl (2S,3R)-2-[(1,3-dioxoisoindol-2-yl)methyl]-3-hydroxybutanoate
CID 11779023
2-[1,3-bis(1,3-dioxoisoindol-2-yl)propan-2-ylamino]-2-butoxyacetic acid
CID 23374867
[(2S)-1-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189114
2-(2-hydroxyhexyl)isoindole-1,3-dione
CID 67854445
[1-(4-carbamoyl-3-fluorophenyl)-3-(1,3-dioxoisoindol-2-yl)propan-2-yl]carbamic acid
CID 174189079
3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylpentanoic acid
CID 71583338
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
tert-butyl N-[1-(1,3-dioxoisoindol-2-yl)-6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]heptan-2-yl]carbamate
CID 174995453
2-[(1,3-dioxoisoindol-2-yl)methyl]-3-methylbutanoic acid
CID 65222152
4-(1,3-dioxoisoindol-2-yl)-N-(1-phenylbutyl)butanamide
CID 17477366

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid (CID 150921209) is [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid is CCC[C@H](CN1C(=O)c2ccccc2C1=O)NC(=O)O.
What is the InChIKey of [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid?
The InChIKey is LEBKURDYFAARCN-SECBINFHSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-2-5-9(15-14(19)20)8-16-12(17)10-6-3-4-7-11(10)13(16)18/h3-4,6-7,9,15H,2,5,8H2,1H3,(H,19,20)/t9-/m1/s1.
What are the key properties of [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid?
[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid has a molecular weight of 276.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid is sourced from PubChem (CID 150921209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).